8G25
Crystal Structure of Cathepsin-G and Neutrophil Elastase Inhibited by S. aureus EapH2 at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.147, 68.429, 141.899 |
| Unit cell angles | 90.00, 102.76, 90.00 |
Refinement procedure
| Resolution | 46.130 - 1.800 |
| R-factor | 0.2486 |
| Rwork | 0.248 |
| R-free | 0.28270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1AU8 1hne & 1YN5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.721 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.19.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rpim | 0.075 | 0.062 | 0.588 |
| Total number of observations | 951665 | ||
| Number of reflections | 149744 | 28586 | 28620 |
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 98.1 | 97.5 | 97.9 |
| Redundancy | 3.3 | 3.5 | 2.9 |
| CC(1/2) | 0.979 | 0.979 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 0.2 M lithium sulfate, 26% w/v PEG3350 |
